2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole

C11H9Cl3N2O3 — CID 58757884

IUPAC2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole
SMILESCOCOc1ccc(-c2nnc(C(Cl)(Cl)Cl)o2)cc1
InChIInChI=1S/C11H9Cl3N2O3/c1-17-6-18-8-4-2-7(3-5-8)9-15-16-10(19-9)11(12,13)14/h2-5H,6H2,1H3
InChIKeyWTUUKUUWBWEEKN-UHFFFAOYSA-N
MW323.56 g/mol
LogP3.55
Rot. Bonds4

About 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole

2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole (PubChem CID 58757884) has the molecular formula C11H9Cl3N2O3 and a molecular weight of 323.56 g/mol. Its IUPAC name is 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole
PubChem CID58757884
Molecular FormulaC11H9Cl3N2O3
Molecular Weight323.56 g/mol
Exact Mass321.97
IUPAC Name2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole
SMILESCOCOc1ccc(-c2nnc(C(Cl)(Cl)Cl)o2)cc1
InChIInChI=1S/C11H9Cl3N2O3/c1-17-6-18-8-4-2-7(3-5-8)9-15-16-10(19-9)11(12,13)14/h2-5H,6H2,1H3
InChIKeyWTUUKUUWBWEEKN-UHFFFAOYSA-N
XLogP3.55
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.56
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(methoxymethoxy)benzene
CID 542643
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
2-(4-decoxyphenyl)-5-[4-[5-(4-decoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 3725956
2-(4-hexadecoxyphenyl)-5-[4-[5-(4-hexadecoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 102166684
2,5-bis(4-octoxyphenyl)-1,3,4-oxadiazole
CID 102447909
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-[4-(4-chlorobutoxy)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 71406447
2-bromo-5-(4-butoxyphenyl)-1,3,4-oxadiazole
CID 114771327
[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanethiol
CID 82159231
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole (CID 58757884) is 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole is COCOc1ccc(-c2nnc(C(Cl)(Cl)Cl)o2)cc1.
What is the InChIKey of 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole?
The InChIKey is WTUUKUUWBWEEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O3/c1-17-6-18-8-4-2-7(3-5-8)9-15-16-10(19-9)11(12,13)14/h2-5H,6H2,1H3.
What are the key properties of 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole?
2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole has a molecular weight of 323.56 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethoxy)phenyl]-5-(trichloromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 58757884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).